Geometry & MOs

Info

ID:

113215

PubChem CID:

50435531

Reduced:

FO4N5C37H38 (1)

Stoich.:

AB4C5D37E38 (1)

Weight, g/mol:

734.359197

ΔHf, kcal/mol:

-146.09

Dipole, Da:

5.33

IP(EA), eV:

 -8.65(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-methyl-1-oxo-1-[4-(phenylcarbamoyl)anilino]butan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)NC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC=CC=C5)F

DOS

IR

Vibrations